2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid

C15H15NO2S — CID 155934555

IUPAC2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C15H15NO2S/c16-14(15(17)18)12-8-6-11(7-9-12)10-19-13-4-2-1-3-5-13/h1-9,14H,10,16H2,(H,17,18)
InChIKeyQVNKFNVRYYONOI-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.06
Rot. Bonds5

About 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid

2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid (PubChem CID 155934555) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
PubChem CID155934555
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C15H15NO2S/c16-14(15(17)18)12-8-6-11(7-9-12)10-19-13-4-2-1-3-5-13/h1-9,14H,10,16H2,(H,17,18)
InChIKeyQVNKFNVRYYONOI-UHFFFAOYSA-N
XLogP3.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
CID 172809734
CID 172809734
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
3-[4-[(S)-amino(carboxy)methyl]phenyl]propanoic acid
CID 66512477
2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride
CID 67352020
(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid (CID 155934555) is 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid is NC(C(=O)O)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid?
The InChIKey is QVNKFNVRYYONOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c16-14(15(17)18)12-8-6-11(7-9-12)10-19-13-4-2-1-3-5-13/h1-9,14H,10,16H2,(H,17,18).
What are the key properties of 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid?
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid has a molecular weight of 273.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid is sourced from PubChem (CID 155934555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).